1.0 2020-03-26 11:52:26 UTC 2020-04-22 20:14:49 UTC BMDB0108540 TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Adrenoyl-2-a-linolenoyl-3-a-linolenoyl-glycerol TAG(22:4/18:3/18:3) TAG(58:10) TG(22:4/18:3/18:3) TG(58:10) Tracylglycerol(22:4/18:3/18:3) Tracylglycerol(58:10) Triacylglycerol Triglyceride TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) C61H98O6 927.449 926.736340876 (2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-33,36,39,58H,4-7,10,13-15,22-24,29,34-35,37-38,40-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1 JHMNZIPEQPSWIE-XZQOVRJJSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds Triacylglycerols logp 10.10 ALOGPS logs -8.24 ALOGPS logp 19.75 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 927.449 ChemAxon mono_mass 926.736340876 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC ChemAxon formula C61H98O6 ChemAxon inchi InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-33,36,39,58H,4-7,10,13-15,22-24,29,34-35,37-38,40-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-/t58-/m1/s1 ChemAxon inchikey JHMNZIPEQPSWIE-XZQOVRJJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 298.47 ChemAxon polarizability 118.42 ChemAxon rotatable_bond_count 50 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 578968 Specdb::MsMs 578969 Specdb::MsMs 578970 Specdb::MsMs 2470191 Specdb::MsMs 2470192 Specdb::MsMs 2470193 Specdb::MsMs 2492708 Specdb::MsMs 2492709 Specdb::MsMs 2492710 Specdb::MsMs 2603153 Specdb::MsMs 2603154 Specdb::MsMs 2603155 Specdb::MsMs 2710355 Specdb::MsMs 2710356 Specdb::MsMs 2710357 Specdb::MsMs 2945181 Specdb::MsMs 2945182 Specdb::MsMs 2945183 9545489